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1373510-82-7 | Acetic acid, 2-[3,3-difluoro-1-(phenylmethyl)-4-piperidinylidene]-, ethyl ester
CAS No: 1373510-82-7 Catalog No: AG00135S MDL No:MFCD22199402
Product Description
Catalog Number:
AG00135S
Chemical Name:
Acetic acid, 2-[3,3-difluoro-1-(phenylmethyl)-4-piperidinylidene]-, ethyl ester
CAS Number:
1373510-82-7
Molecular Formula:
C16H19F2NO2
Molecular Weight:
295.3244
MDL Number:
MFCD22199402
IUPAC Name:
ethyl (2Z)-2-(1-benzyl-3,3-difluoropiperidin-4-ylidene)acetate
InChI:
InChI=1S/C16H19F2NO2/c1-2-21-15(20)10-14-8-9-19(12-16(14,17)18)11-13-6-4-3-5-7-13/h3-7,10H,2,8-9,11-12H2,1H3/b14-10-
InChI Key:
SFJGQMQDSLOSHR-UVTDQMKNSA-N
SMILES:
CCOC(=O)C=C1CCN(CC1(F)F)Cc1ccccc1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
295.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.33g/mol
Monoisotopic Mass:
295.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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